Molecular properties
- Formula
- C11H8N4O2
- Molar mass
- 228.21 g·mol−1
- Exact mass
- 228.0647 Da
- 10
- PubChem CID
- 1939375
Molecule record
3-phenyl-7H-purine-2,6-dione
C11H8N4O2
228.21 g/mol
Loading structure
Functional groups
Aromatic ring
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 3-phenyl-1H-purine-2,6(3H,7H)-dione
- 3-phenyl-3,7-dihydro-1H-purine-2,6-dione
- 3-phenylxanthine
- 6-hydroxy-3-phenyl-3,7-dihydro-2H-purin-2-one
- AKOS005503738
- AKOS032395241
- OAKFYBUWKSXSTD-UHFFFAOYSA-N
- SCHEMBL16474819
Show all 10 synonyms
- SCHEMBL6663821
- STK579847
Structure identifiers
- Canonical SMILES
- O=c1[nH]c(=O)n(-c2ccccc2)c2nc[nH]c12
- Isomeric SMILES
- C1=CC=C(C=C1)N2C3=C(C(=O)NC2=O)NC=N3
- InChI
- InChI=1S/C11H8N4O2/c16-10-8-9(13-6-12-8)15(11(17)14-10)7-4-2-1-3-5-7/h1-6H,(H,12,13)(H,14,16,17)
- InChIKey
- OAKFYBUWKSXSTD-UHFFFAOYSA-N
- PubChem CID
- 1939375
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 3-phenyl-7H-purine-2,6-dione; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-phenyl-7H-purine-2,6-dione; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.